List of works - Frank von Delft

8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors

scientific article

A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density

scientific article (publication date: 24 April 2017)

A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c5sc03115j.

scientific article published on 22 December 2015

Achieving a Good Crystal System for Crystallographic X-Ray Fragment Screening

scientific article published on 15 October 2018

An allosteric binding site of the α7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine binding protein

scientific article published on 13 December 2017

An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering

scientific article published on 07 June 2018

An overview of heavy-atom derivatization of protein crystals

scientific article

Application of in situ diffraction in high-throughput structure determination platforms.

scientific article

CCP4i2: the new graphical user interface to the CCP4 program suite.

scientific article published in February 2018

Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis

scientific article

Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase

scientific article published on 26 April 2019

Crystal Structure of Escherichia coli Ketopantoate Reductase at 1.7 Å Resolution and Insight into the Enzyme Mechanism ⬇️

scientific article published on December 4, 2001

Crystal Structures of ABL-Related Gene (ABL2) in Complex with Imatinib, Tozasertib (VX-680), and a Type I Inhibitor of the Triazole Carbothioamide Class

scientific article

Crystal Structures of Malonyl-Coenzyme A Decarboxylase Provide Insights into Its Catalytic Mechanism and Disease-Causing Mutations

scientific article

Crystal structure of an iron-containing 1,3-propanediol dehydrogenase (TM0920) from Thermotoga maritima at 1.3 A resolution

scientific article

Crystal structure of aspartate decarboxylase at 2.2 A resolution provides evidence for an ester in protein self-processing

scientific article

Crystal structure of fibroblast growth factor receptor ectodomain bound to ligand and heparin

scientific article

Crystal structure of gamma-glutamyl phosphate reductase (TM0293) from Thermotoga maritima at 2.0 A resolution

scientific article

Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor

scientific article

Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity

scientific article

Crystal structures of the catalytic domain of human soluble guanylate cyclase

scientific article

Crystal structures of the endoplasmic reticulum aminopeptidase-1 (ERAP1) reveal the molecular basis for N-terminal peptide trimming

scientific article

Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease

scientific article published on 07 October 2020

Defined PEG smears as an alternative approach to enhance the search for crystallization conditions and crystal-quality improvement in reduced screens

scientific article published on 28 July 2015

Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).

scientific article published on 20 August 2015

Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking

scientific article published on 24 November 2020

Functional and structural characterization of a novel putative cysteine protease cell wall-modifying multi-domain enzyme selected from a microbial metagenome.

scientific article published on 9 December 2016

Functional and structural characterization of a thermostable acetyl esterase from Thermotoga maritima

scientific article

Gentle, fast and effective crystal soaking by acoustic dispensing.

scientific article

Human ISPD Is a Cytidyltransferase Required for Dystroglycan O-Mannosylation

scientific article

Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: insights from DNA complex structures

scientific article

Identification of macrodomain proteins as novel O-acetyl-ADP-ribose deacetylases

scientific article

Identifying Small-Molecule Binding Sites for Epigenetic Proteins at Domain-Domain Interfaces.

scientific article published on 26 March 2018

Insight into S -adenosylmethionine biosynthesis from the crystal structures of the human methionine adenosyltransferase catalytic and regulatory subunits

scientific article

Lessons from ten years of crystallization experiments at the SGC.

scientific article published on 22 January 2016

Molecular Architecture of the Ankyrin SOCS Box Family of Cul5-Dependent E3 Ubiquitin Ligases

scientific article

On the need for an international effort to capture, share and use crystallization screening data

scientific article (publication date: March 2012)

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors

scientific article published on 10 November 2023

Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor

scientific article published in December 2014

Partial-occupancy binders identified by the Pan-Dataset Density Analysis method offer new chemical opportunities and reveal cryptic binding sites

scientific article published on 28 February 2017

Plant Growth Regulator Daminozide Is a Selective Inhibitor of Human KDM2/7 Histone Demethylases

scientific article

Proper modelling of ligand binding requires an ensemble of bound and unbound states

scientific article published on 06 March 2017

Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening

scientific article published on 22 May 2019

Ribosomal oxygenases are structurally conserved from prokaryotes to humans

scientific article

Role of protein structure in variant annotation: structural insight of mutations causing 6-pyruvoyl-tetrahydropterin synthase deficiency

scientific article published on 08 March 2019

Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin

scientific article

Squeezing the most from every crystal: the fine details of data collection.

scientific article

Structural Basis for ASPP2 Recognition by the Tumor Suppressor p73

scientific article

Structural Basis for Cul3 Protein Assembly with the BTB-Kelch Family of E3 Ubiquitin Ligases

scientific article

Structural Insights into Functional Overlapping and Differentiation among Myosin V Motors

scientific article

Structural and mechanistic studies on γ-butyrobetaine hydroxylase

scientific article

Structural basis for Cul3 protein assembly with the BTB-Kelch family of E3 ubiquitin ligases

scientific article published on 27 September 2013

Structural basis of glycogen branching enzyme deficiency and pharmacologic rescue by rational peptide design

scientific journal article

Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A

scientific article

Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-β-lactamases

scientific article published on 23 February 2018

Structure of E. coli ketopantoate hydroxymethyl transferase complexed with ketopantoate and Mg2+, solved by locating 160 selenomethionine sites

scientific article

Structure of MMACHC reveals an arginine-rich pocket and a domain-swapped dimer for its B12 processing function

scientific article

Structure of human aspartyl aminopeptidase complexed with substrate analogue: insight into catalytic mechanism, substrate specificity and M18 peptidase family

scientific article

Structure of the CaMKIIdelta/calmodulin complex reveals the molecular mechanism of CaMKII kinase activation

scientific article

Structure of the bone morphogenetic protein receptor ALK2 and implications for fibrodysplasia ossificans progressiva

scientific article

Structure-guided fragment-based drug discovery at the synchrotron: screening binding sites and correlations with hotspot mapping

scientific article published on 01 June 2019

Structures of ABCB10, a human ATP-binding cassette transporter in apo- and nucleotide-bound states

scientific article

Synthesis and Demonstration of the Biological Relevance of sp3 -rich Scaffolds Distantly Related to Natural Product Frameworks. ⬇️

scientific article published on 6 October 2017

Targeting Low-Druggability Bromodomains: Fragment Based Screening and Inhibitor Design against the BAZ2B Bromodomain

scientific article

Targeting the Small GTPase Superfamily through Their Regulatory Proteins

scientific article published on 30 January 2020

The Cryptosporidium parvum Kinome ⬇️

scientific article

The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery.

scientific article published on 8 November 2017

The XChemExplorer graphical workflow tool for routine or large-scale protein-ligand structure determination.

scientific article

The crystal structure of E. coli pantothenate synthetase confirms it as a member of the cytidylyltransferase superfamily

scientific article published in May 2001

The crystal structure of human GLRX5: iron-sulfur cluster co-ordination, tetrameric assembly and monomer activity

scientific article

The inhibition of human farnesyl pyrophosphate synthase by nitrogen-containing bisphosphonates. Elucidating the role of active site threonine 201 and tyrosine 204 residues using enzyme mutants

scientific article published on 28 August 2015

The low-cost Shifter microscope stage transforms the speed and robustness of protein crystal harvesting

scientific article published on 01 January 2021

The structural basis of ZMPSTE24-dependent laminopathies

scientific article

Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.

scientific article

Two-wavelength MAD phasing and radiation damage: a case study

scientific article published on 14 April 2005

Using textons to rank crystallization droplets by the likely presence of crystals.

scientific article

WONKA: objective novel complex analysis for ensembles of protein-ligand structures.

scientific article published on 19 September 2015

Where is crystallography going?

scientific article published in February 2018

List of works by Frank von Delft

8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors

A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density

A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c5sc03115j.

Achieving a Good Crystal System for Crystallographic X-Ray Fragment Screening

An allosteric binding site of the α7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine binding protein

An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering

An overview of heavy-atom derivatization of protein crystals

Application of in situ diffraction in high-throughput structure determination platforms.

CCP4i2: the new graphical user interface to the CCP4 program suite.

Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis

Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase

Crystal Structure of Escherichia coli Ketopantoate Reductase at 1.7 Å Resolution and Insight into the Enzyme Mechanism ⬇️

Crystal Structures of ABL-Related Gene (ABL2) in Complex with Imatinib, Tozasertib (VX-680), and a Type I Inhibitor of the Triazole Carbothioamide Class

Crystal Structures of Malonyl-Coenzyme A Decarboxylase Provide Insights into Its Catalytic Mechanism and Disease-Causing Mutations

Crystal structure of an iron-containing 1,3-propanediol dehydrogenase (TM0920) from Thermotoga maritima at 1.3 A resolution

Crystal structure of aspartate decarboxylase at 2.2 A resolution provides evidence for an ester in protein self-processing

Crystal structure of fibroblast growth factor receptor ectodomain bound to ligand and heparin

Crystal structure of gamma-glutamyl phosphate reductase (TM0293) from Thermotoga maritima at 2.0 A resolution

Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor

Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity

Crystal structures of the catalytic domain of human soluble guanylate cyclase

Crystal structures of the endoplasmic reticulum aminopeptidase-1 (ERAP1) reveal the molecular basis for N-terminal peptide trimming

Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease

Defined PEG smears as an alternative approach to enhance the search for crystallization conditions and crystal-quality improvement in reduced screens

Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).

Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking

Functional and structural characterization of a novel putative cysteine protease cell wall-modifying multi-domain enzyme selected from a microbial metagenome.

Functional and structural characterization of a thermostable acetyl esterase from Thermotoga maritima

Gentle, fast and effective crystal soaking by acoustic dispensing.

Human ISPD Is a Cytidyltransferase Required for Dystroglycan O-Mannosylation

Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: insights from DNA complex structures

Identification of macrodomain proteins as novel O-acetyl-ADP-ribose deacetylases

Identifying Small-Molecule Binding Sites for Epigenetic Proteins at Domain-Domain Interfaces.

Insight into S -adenosylmethionine biosynthesis from the crystal structures of the human methionine adenosyltransferase catalytic and regulatory subunits

Lessons from ten years of crystallization experiments at the SGC.

Molecular Architecture of the Ankyrin SOCS Box Family of Cul5-Dependent E3 Ubiquitin Ligases

On the need for an international effort to capture, share and use crystallization screening data

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors

Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor

Partial-occupancy binders identified by the Pan-Dataset Density Analysis method offer new chemical opportunities and reveal cryptic binding sites

Plant Growth Regulator Daminozide Is a Selective Inhibitor of Human KDM2/7 Histone Demethylases

Proper modelling of ligand binding requires an ensemble of bound and unbound states

Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening

Ribosomal oxygenases are structurally conserved from prokaryotes to humans

Role of protein structure in variant annotation: structural insight of mutations causing 6-pyruvoyl-tetrahydropterin synthase deficiency

Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin

Squeezing the most from every crystal: the fine details of data collection.

Structural Basis for ASPP2 Recognition by the Tumor Suppressor p73

Structural Basis for Cul3 Protein Assembly with the BTB-Kelch Family of E3 Ubiquitin Ligases

Structural Insights into Functional Overlapping and Differentiation among Myosin V Motors

Structural and mechanistic studies on γ-butyrobetaine hydroxylase

Structural basis for Cul3 protein assembly with the BTB-Kelch family of E3 ubiquitin ligases

Structural basis of glycogen branching enzyme deficiency and pharmacologic rescue by rational peptide design

Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A

Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-β-lactamases

Structure of E. coli ketopantoate hydroxymethyl transferase complexed with ketopantoate and Mg2+, solved by locating 160 selenomethionine sites

Structure of MMACHC reveals an arginine-rich pocket and a domain-swapped dimer for its B12 processing function

Structure of human aspartyl aminopeptidase complexed with substrate analogue: insight into catalytic mechanism, substrate specificity and M18 peptidase family

Structure of the CaMKIIdelta/calmodulin complex reveals the molecular mechanism of CaMKII kinase activation

Structure of the bone morphogenetic protein receptor ALK2 and implications for fibrodysplasia ossificans progressiva

Structure-guided fragment-based drug discovery at the synchrotron: screening binding sites and correlations with hotspot mapping

Structures of ABCB10, a human ATP-binding cassette transporter in apo- and nucleotide-bound states

Synthesis and Demonstration of the Biological Relevance of sp3 -rich Scaffolds Distantly Related to Natural Product Frameworks. ⬇️

Targeting Low-Druggability Bromodomains: Fragment Based Screening and Inhibitor Design against the BAZ2B Bromodomain

Targeting the Small GTPase Superfamily through Their Regulatory Proteins

The Cryptosporidium parvum Kinome ⬇️

The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery.

The XChemExplorer graphical workflow tool for routine or large-scale protein-ligand structure determination.

The crystal structure of E. coli pantothenate synthetase confirms it as a member of the cytidylyltransferase superfamily

The crystal structure of human GLRX5: iron-sulfur cluster co-ordination, tetrameric assembly and monomer activity

The inhibition of human farnesyl pyrophosphate synthase by nitrogen-containing bisphosphonates. Elucidating the role of active site threonine 201 and tyrosine 204 residues using enzyme mutants

The low-cost Shifter microscope stage transforms the speed and robustness of protein crystal harvesting

The structural basis of ZMPSTE24-dependent laminopathies

Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.

Two-wavelength MAD phasing and radiation damage: a case study

Using textons to rank crystallization droplets by the likely presence of crystals.

WONKA: objective novel complex analysis for ensembles of protein-ligand structures.

Where is crystallography going?